3-[3-(Trifluoromethyl)phenyl]-1-propylamine - CAS 104774-87-0
Catalog: |
BB001481 |
Product Name: |
3-[3-(Trifluoromethyl)phenyl]-1-propylamine |
CAS: |
104774-87-0 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]-1-propanamine; 3-[3-(trifluoromethyl)phenyl]propan-1-amine |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]propan-1-amine |
Description: | 3-[3-(Trifluoromethyl)phenyl]-1-propylamine (CAS# 104774-87-0) is a useful research chemical. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H12F3N |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CCCN |
InChI: | InChI=1S/C10H12F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4,6,14H2 |
InChI Key: | JMTLMFBJIQWJPW-UHFFFAOYSA-N |
Appearance: | Liquid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.29700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191417-A1 | Compounds for use in the treatment of synucleinopathies | 20200327 |
TW-201738203-A | Tertiary guanamine and method of use | 20160406 |
US-2019119200-A1 | Tertiary amides and method of use | 20160406 |
WO-2017177004-A1 | Tertiary amides and method of use | 20160406 |
CN-104610069-A | Preparation method of high purity cinacalcet hydrochloride | 20150129 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.09218387 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.09218387 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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